3-(dec-2-enylamino)propanoic acid

C13H25NO2 — CID 174049782

IUPAC3-(dec-2-enylamino)propanoic acid
SMILESCCCCCCCC=CCNCCC(=O)O
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13(15)16/h8-9,14H,2-7,10-12H2,1H3,(H,15,16)
InChIKeyLOCXWAWGAWGNQY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.97
Rot. Bonds11

About 3-(dec-2-enylamino)propanoic acid

3-(dec-2-enylamino)propanoic acid (PubChem CID 174049782) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(dec-2-enylamino)propanoic acid.

Molecular Properties

Compound Name3-(dec-2-enylamino)propanoic acid
PubChem CID174049782
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-(dec-2-enylamino)propanoic acid
SMILESCCCCCCCC=CCNCCC(=O)O
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13(15)16/h8-9,14H,2-7,10-12H2,1H3,(H,15,16)
InChIKeyLOCXWAWGAWGNQY-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 173344476
CID 173344476
sodium 3-(oct-2-enylamino)propanoate
CID 174049613
(Z)-tricos-5-enoic acid
CID 170849785
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
heptadec-4-enoic acid
CID 56621766

Frequently Asked Questions

What is the IUPAC name of 3-(dec-2-enylamino)propanoic acid?
The IUPAC name of 3-(dec-2-enylamino)propanoic acid (CID 174049782) is 3-(dec-2-enylamino)propanoic acid.
What is the SMILES notation for 3-(dec-2-enylamino)propanoic acid?
The canonical SMILES for 3-(dec-2-enylamino)propanoic acid is CCCCCCCC=CCNCCC(=O)O.
What is the InChIKey of 3-(dec-2-enylamino)propanoic acid?
The InChIKey is LOCXWAWGAWGNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13(15)16/h8-9,14H,2-7,10-12H2,1H3,(H,15,16).
What are the key properties of 3-(dec-2-enylamino)propanoic acid?
3-(dec-2-enylamino)propanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.97, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dec-2-enylamino)propanoic acid is sourced from PubChem (CID 174049782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).